Hallo SIESTA users! I have run my fdf to get the band structure for graphene and TIO2 Rutile. I have made the visualization using gnubands and gnuplot. But then, I got soo many lines. Can anyone informs me why it can be happened? is there any mistake? I trie to attach that picture, but it is difficult.
And another things that I want to ask is, how to label the x-axis so that we get the symmetry label on that (ex. Gamma, M, K etc.) I have attached the file of bands structure visualization and here the K-point for graphene %block Bandlines 1 -0.500 0.000 0.000 M 25 0.000 0.000 0.000 \Gamma 25 0.3329 -0.6658 0.000 K %endblock BandLines while for tio2 (rutile, space group 136) %block Bandlines 1 0.000 0.000 0.000 \Gamma 20 0.000 0.500 0.000 X 25 0.000 0.500 0.500 R 20 0.000 0.000 0.500 Z 25 0.000 0.000 0.000 \Gamma 20 0.500 0.500 0.000 M 25 0.500 0.500 0.500 A 20 0.000 0.000 0.500 Z %endblock BandLines Thank you, Best Regards Yuly Kusumawati Laboratory of Computational Chemistry Institut Teknologi Bandung (ITB) -- http://www.its.ac.id
